Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | t62 | |
|---|---|---|
| Name: | 2,2,4-trimethyl-1,3-pentanediol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 144-19-4 | |
| InChi Code: | InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| -1 |
experimental value |
| 0.9057 |
Tab2: Multilinear model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8027113 | US EPA CompTox Dashboard |